Spektraris NMR
Mananthoside C
Common Name: Mananthoside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H36O16/c1-12-29(48-33-27(38)25(36)24(35)21(9-34)47-33)26(37)28(39)32(46-12)49-30-15-8-19(42-3)18(41-2)7-14(15)22(23-16(30)10-43-31(23)40)13-4-5-17-20(6-13)45-11-44-17/h4-8,12,21,24-29,32-39H,9-11H2,1-3H3/t12-,21-,24-,25+,26-,27-,28-,29-,32+,33+/m1/s1
InChIKey: InChIKey=GDROJZMLSNLPRF-AAADLQPXSA-N
Formula: C33H36O16
Molecular Weight: 688.630631
Exact Mass: 688.200335
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Tian, J.M., Hao, X.J., He, H.P. Helv Chim Acta (2006) 89, 291-8
Species:
Notes: Family : Lignans, Type : Lignans, Group : Cyclolignans; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 132 |
| 2 (C) | 128.9 |
| 3 (CH) | 107.1 |
| 4 (C) | 151.8 |
| 5 (C) | 153.4 |
| 6 (CH) | 102.8 |
| 7 (C) | 146.4 |
| 8 (C) | 132.2 |
| 9 (CH2) | 120 |
| 1' (C) | 130 |
| 2' (CH) | 111.8 |
| 3' (C) | 149 |
| 4' (C) | 149 |
| 5' (CH) | 109 |
| 6' (CH) | 124.7 |
| 7' (C) | 137.7 |
| 8' (C) | 120 |
| 9' (C) | 172.1 |
| 1'' (CH) | 106.4 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 76.3 |
| 4'' (CH) | 86.4 |
| 5'' (CH) | 72.5 |
| 6'' (CH3) | 18.2 |
| 1''' (CH) | 105.1 |
| 2''' (CH) | 75.1 |
| 3''' (CH) | 78 |
| 4''' (CH) | 71.5 |
| 5''' (CH) | 78.2 |
| 6''' (CH2) | 62.6 |
| 4a (CH3) | 56.8 |
| 5a (CH3) | 56.1 |
| 3'a (CH2) | 102.6 |
